CID 11040985

2-ethoxy-4,6-difluoropyrimidine

Structural Information

Molecular Formula

C₆H₆F₂N₂O

SMILES

CCOC1=NC(=CC(=N1)F)F

InChI

InChI=1S/C6H6F2N2O/c1-2-11-6-9-4(7)3-5(8)10-6/h3H,2H2,1H3

InChIKey

SGVUAJWRAOSPNC-UHFFFAOYSA-N

Compound name

2-ethoxy-4,6-difluoropyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 160.04482 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	161.05210	131.0
[M+Na]+	183.03404	142.9
[M+NH4]+	178.07864	137.5
[M+K]+	199.00798	137.2
[M-H]-	159.03754	129.1
[M+Na-2H]-	181.01949	136.8
[M]+	160.04427	131.9
[M]-	160.04537	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe